6-amino-3-(2-ethoxyethyl)pyrimidin-4-one

C8H13N3O2 — CID 23525168

IUPAC6-amino-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCn1cnc(N)cc1=O
InChIInChI=1S/C8H13N3O2/c1-2-13-4-3-11-6-10-7(9)5-8(11)12/h5-6H,2-4,9H2,1H3
InChIKeyFEFMKRACQJLZJT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.14
Rot. Bonds4

About 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one

6-amino-3-(2-ethoxyethyl)pyrimidin-4-one (PubChem CID 23525168) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-(2-ethoxyethyl)pyrimidin-4-one
PubChem CID23525168
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-amino-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCn1cnc(N)cc1=O
InChIInChI=1S/C8H13N3O2/c1-2-13-4-3-11-6-10-7(9)5-8(11)12/h5-6H,2-4,9H2,1H3
InChIKeyFEFMKRACQJLZJT-UHFFFAOYSA-N
XLogP-0.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Morpholin-4-yl-6-oxopyrimidine-1-carboxamide
CID 123522893
6-Amino-2-methoxy-3-prop-2-ynylpyrimidin-4-one
CID 10899253
6-Amino-2-methoxy-3-[2-(2-bromoethoxy)ethyl]-4-pyrimidone
CID 10214847
6-Amino-2-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-pyrimidone
CID 11492462
2,6-Diamino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525147
2-Amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
CID 23525149
2-Amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525153
2-Amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525155
6-Amino-3-(2-ethoxyethyl)-2-methylsulfanylpyrimidin-4-one
CID 23525167
6-Amino-3-[2-(2-bromoethoxy)ethyl]-2-methylpyrimidin-4-one
CID 59073485
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
6-Amino-2-methoxy-3-prop-2-enylpyrimidin-4-one
CID 67822245

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one?
The IUPAC name of 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one (CID 23525168) is 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one is CCOCCn1cnc(N)cc1=O.
What is the InChIKey of 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one?
The InChIKey is FEFMKRACQJLZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-13-4-3-11-6-10-7(9)5-8(11)12/h5-6H,2-4,9H2,1H3.
What are the key properties of 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one?
6-amino-3-(2-ethoxyethyl)pyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-ethoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 23525168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).